Vitas-M small molecule compound
6-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-5,9-dimethyl-3-phenyl-7H-furo[3,2-g]chromen-7-one
Catalog ID
STL461633
SMILES O=C(N1CCC2(C(C1)CCCC2)O)Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1c1ccccc1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C30H31NO5 MW 485.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31NO5/c1-18-22-14-24-25(20-8-4-3-5-9-20)17-35-27(24)19(2)28(22)36-29(33)23(18)15-26(32)31-13-12-30(34)11-7-6-10-21(30)16-31/h3-5,8-9,14,17,21,34H,6-7,10-13,15-16H2,1-2H3InChIKey
XDXQVCUGAVVYSQ-UHFFFAOYSA-NSynonyms
6(2(4ahydroxy13456788aoctahydroisoquinolin2yl)2oxoethyl)59dimethyl3phenylfuro(32g)chromen7one
6(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethyl)59dimethyl3phenyl7Hfuro(32g)chromen7one
CC1=C(C(=O)OC2=C1C=C3C(=COC3=C2C)C4=CC=CC=C4)CC(=O)N5CCC6(CCCCC6C5)O
InChI=1SC30H31NO5c11822142425(208435920)173527(24)19(2)28(22)3629(33)23(18)1526(32)31131230(34)11761021(30)1631h358914172134H6710131516H212H3
MFCD10041034
ZINC000002109802
ZINC000011867359
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